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2-(isovalerylamino)glutaric acid dimethyl ester
SpectraBase Compound ID 3oO9FafbWW3
InChI InChI=1S/C12H21NO5/c1-8(2)7-10(14)13-9(12(16)18-4)5-6-11(15)17-3/h8-9H,5-7H2,1-4H3,(H,13,14)
InChIKey LBIWYIMNCGDUFX-UHFFFAOYSA-N
Mol Weight 259.3 g/mol
Molecular Formula C12H21NO5
Exact Mass 259.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1PIynYKhIA7
Name 2-(isovalerylamino)glutaric acid dimethyl ester
Alternate Name(s) 2-[(3-methyl-1-oxobutyl)amino]pentanedioic acid dimethyl ester Dimethyl 2-(3-methylbutanoylamino)pentanedioate Glutamic acid, N-isovaleryl-, dimethyl ester
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Formula C12H21NO5
InChI InChI=1S/C12H21NO5/c1-8(2)7-10(14)13-9(12(16)18-4)5-6-11(15)17-3/h8-9H,5-7H2,1-4H3,(H,13,14)
InChIKey LBIWYIMNCGDUFX-UHFFFAOYSA-N
Molecular Weight 259.302 g/mol
SMILES N(C(CC(C)C)=O)C(C(=O)OC)CCC(=O)OC
SPLASH splash10-0a4i-9200000000-e24ab7280bf0093acbba
Source of Spectrum NP-7-6403-0
Wiley ID 1106681